SCHEMBL2323739

SCHEMBL2323739

COc1ccc2nc(-c3cccc(C(F)(F)F)c3)n(-c3ccccc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
HTT P42858 2/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
MAPK10 P53779 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MITF O75030 1/20 0.44
ACSS2 Q9NR19 2/20 0.43
MAT2A P31153 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
GSR P00390 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2328833 0.93 GSR (0.47) ALDH1A1HTTHPGDMAPK1MAPK10
SCHEMBL2330188 0.86 HDAC1 (0.49) ALDH1A1HTTHPGDMAPK1MAPK10
SCHEMBL8011141 0.83 GSR (0.55) ALDH1A1HTTMAPK1HDAC1HDAC8
SCHEMBL2327802 0.83 ESR1 (0.52) ALDH1A1HTTMAPK1MAPK10HDAC1
SCHEMBL2325922 0.83 NPC1 (0.49) ALDH1A1HTTHPGDMAPK1MAPK10
SCHEMBL2327110 0.82 RPS6KB1 (0.47) ALDH1A1HTTHPGDMAPK1MAPK10
SCHEMBL2329706 0.82 FGFR1 (0.47) ALDH1A1HTTACSS2GSRMEN1
SCHEMBL4589453 0.81 ALDH1A1 (0.57) ALDH1A1HTTHPGDMAPK1MAPK10
SCHEMBL2324718 0.81 PDE3B (0.44) HDAC1HDAC8HDAC6ACSS2GSR
SCHEMBL8026811 0.80 ALDH1A1 (0.48) ALDH1A1HTTHPGDMAPK1MAPK10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246808-B1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION BAYER SCHERING PHARMA AG (DE) 2011-08-17 EP disclosed
US-7345075-B2 6-[(1,2-diphenyl-1H-benzimidazol-6-yl)oxy]hexanoic acid isopropyl ester; antiinflammatory agents; microglia activators; neurodegenerative diseases SCHERING AKTIENGESELLSCHAFT (DE) 2008-03-18 US disclosed
US-7329679-B2 1,2 Diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2008-02-12 US disclosed
US-7115645-B2 1,2 diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-10-03 US disclosed
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-14 US disclosed
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-05-04 US disclosed
EP-1246808-A1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION SCHERING AKTIENGESELLSCHAFT (DE) 2002-10-09 EP disclosed
US-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use SCHERING AG 2002-01-17 US disclosed
WO-2001051473-A1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION SCHERING AKTIENGESELLSCHAFT (DE) 2001-07-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use CYP2E1, CYP1B1, CYP1A1 ALDH1A1 29/4885HTT 3722/4885HPGD 254/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG ALDH1A1 118/4885HTT 2645/4885HPGD 186/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG ALDH1A1 118/4885HTT 2645/4885HPGD 186/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.